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(5Z,8Z,11Z,14E)-Icosa-5,8,11,14-tetraenoic acid

E3L051156
Internal ID: BDB051156
Activity data available Local docking-ready structure
Dock with P37231
Structure
/e3_file/ligand_db/generated/BDB051156/BDB051156.sdf
Basic Properties
Compound ID
E3L051156
Internal ID
BDB051156
Molecular formula
C20H32O2
Molecular weight
304.474000
Exact mass
304.240230
XLogP
6.2167
TPSA
37.3000
HBA / HBD
1 / 1
Rotatable bonds
14
Heavy atoms / rings
22 / 0
Activity summary
Ki unknown 1500.00000000 nM
1 activity record(s) imported
InChIKey
YZXBAPSDXZZRGB-QGDKPUJISA-N
SMILES
CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O
Aliases
BDBM50290287 (preferred) (5Z,8Z,11Z,14E)-Icosa-5,8,11,14-tetraenoic acid (source_name) BDBM50290287 (source_id)
E3 Relation
E3 UniProt Gene / protein Relation type Ligand role Direct Functional Docking Source Evidence
P37231 PPARG;NR1C3
Peroxisome proliferator-activated receptor gamma		 reported_binder bindingdb_reported Yes No low BindingDB:BDBM50290287 medium
; target=Peroxisome proliferator-activated receptor gamma
Sources and Literature
Source Source ID Source URL Download URL DOI / PMID
BindingDB BDBM50290287 Open - 10.1016/S0960-894X(97)10017-8
PubChem CID12111897 Open -
Structure Files
Kind Format Status Docking use File / link Preparation note
canonical_2d SMILES raw Docking-ready CCCCC/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)O keep_bindingdb_unique
generated_3d SDF prepared Docking-ready public/e3_file/ligand_db/generated/BDB051156/BDB051156.sdf Generated from canonical SMILES
generated_3d MOL2 prepared Docking-ready public/e3_file/ligand_db/generated/BDB051156/BDB051156.mol2 Generated from canonical SMILES
docking_ready PDBQT prepared Docking-ready public/e3_file/ligand_db/generated/BDB051156/BDB051156.pdbqt Generated from canonical SMILES
image PNG prepared Reference public/e3_file/ligand_db/generated/BDB051156/BDB051156.png Generated from canonical SMILES
image SVG prepared Reference public/e3_file/ligand_db/generated/BDB051156/BDB051156.svg Generated from canonical SMILES
Activity
Target Source Assay Result Potency Literature Records
Peroxisome proliferator-activated receptor gamma
P37231
E3 ligase component 		BindingDB:BDBM50290287 Ki 1500 nM Low DOI: 10.1016/S0960-894X(97)10017-8 1